Molecular Properties | |
SMILES: | CN1CCCc2ccc(S(=O)(=O)NCN3CCOCC3)cc21 |
MW: | 325.15 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 61.88 |
cLogP: | 0.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
Dye 22
Hetero_hetero
AAR-POS-d2a4d1df-4
AAR-POS-d2a4d1df-4
0.522
MAK-UNK-9a6be56d-6
0.385
MAK-UNK-0b1cbb06-4
0.355
MAK-UNK-53da93bf-2
0.354
MAK-UNK-0b1cbb06-3
0.354
DUN-NEW-f8ce3686-14
0.353
PET-SGC-abcbce68-1
0.349
MAK-UNK-53da93bf-3
0.341
JAR-IMP-ed466bb3-1
0.327
MAK-UNK-9a6be56d-25
0.320
MAK-UNK-9a6be56d-3
0.319
PET-SGC-908c18f3-1
0.319
MAK-UNK-9a6be56d-5
0.314
PET-SGC-6a1b02a9-1
0.307
MAK-UNK-0b1cbb06-2
0.302
MAK-UNK-9a6be56d-4
0.302
PET-SGC-05cff2e1-1
0.298
NAU-LAT-42d4957e-2
0.297
PET-SGC-c4a91520-1
0.295
NAU-LAT-42d4957e-4
0.293
PAU-UNI-2d648ace-1
0.293
PET-SGC-616b7348-1
0.292
JAC-UNI-14c2e728-1
0.287
NEA-WAB-7f018ee1-1
0.287
TAM-UNI-c140e31a-6
0.280
IND-SYN-8f867502-2
0.275
NAU-LAT-42d4957e-3
0.272
HEI-REL-0c990a45-1
0.266
WIL-WAB-1289c0dd-2
0.264
MAK-UNK-9a6be56d-17
0.262
PET-SGC-59809fea-1
0.262
MAK-UNK-10799360-30
0.262
NAU-LAT-42d4957e-5
0.261
PET-SGC-f913cec9-1
0.259
DAR-DIA-37454fd7-1
0.259
PET-SGC-210d4c30-1
0.259
MAK-UNK-9a6be56d-2
0.258
PET-SGC-481b48b7-1
0.258
MAR-TRE-f5c2d31c-34
0.258
PAU-UNI-f4334617-1
0.257
MAK-UNK-9a6be56d-18
0.256
MAK-UNK-9a6be56d-21
0.256
MAK-UNK-9a6be56d-19
0.256
MAK-UNK-10799360-15
0.255
MAK-UNK-9a6be56d-24
0.254
MAR-LAB-ca4662a6-5
0.253
MAR-TRE-f5c2d31c-25
0.253
PET-SGC-f913cec9-2
0.252
JOK-SYG-6ec557d2-1
0.250
MAK-UNK-9a6be56d-11
0.250
MAK-UNK-9a6be56d-22
0.250
TAM-UNI-c140e31a-4
0.250
MAK-UNK-9a6be56d-23
0.250
MAK-UNK-9a6be56d-15
0.248
MAK-UNK-9a6be56d-16
0.248
MAK-UNK-9a6be56d-26
0.246
JOK-SYG-ac99ed27-1
0.245
MAK-UNK-9a6be56d-12
0.244
DAR-DIA-37454fd7-3
0.244
STE-NAN-bafe64f0-1
0.243
MAR-TRE-f5c2d31c-68
0.242
DAR-DIA-37454fd7-2
0.242
MAK-UNK-0b1cbb06-5
0.241
MAK-UNK-9a6be56d-1
0.240
HAR-NEW-e34cb1ae-6
0.240
PET-SGC-fc67af9f-1
0.239
BEN-DND-93268d01-10
0.239
IND-SYN-8f867502-1
0.238
MAK-UNK-9a6be56d-14
0.238
HAR-NEW-e34cb1ae-5
0.238
AAR-POS-0daf6b7e-28
0.237
JAR-IMP-ed466bb3-6
0.237
MAR-TRE-4f781e27-67
0.235
MAR-TRE-6a44bbf2-63
0.234
MAK-UNK-9a6be56d-10
0.234
MAK-UNK-9955b1f3-2
0.231
MAR-TRE-d3c2bf0e-47
0.231
MAR-TRE-0fda4e82-37
0.230
MAR-TRE-dab8f6ea-20
0.229
MAR-TRE-6a44bbf2-46
0.228
AHN-SAT-de2502ba-9
0.228
IND-SYN-058869ff-1
0.226
IND-SYN-8f867502-3
0.226
MAR-TRE-a9136c7b-65
0.224
MAR-TRE-fd17a9b8-36
0.224
MAR-TRE-d0525fbf-36
0.224
MAR-TRE-f5c2d31c-12
0.223
TAM-UNI-c140e31a-17
0.223
MAK-UNK-9a6be56d-9
0.222
MAR-TRE-6a44bbf2-22
0.221
MAK-UNK-7c9d1431-26
0.221
MAK-UNK-9a6be56d-27
0.220
ALP-POS-88a7a97e-47
0.220
DAN-RED-da448e80-15
0.220
SAD-SAT-f25ee457-2
0.219
PAT-GYR-de8eec61-5
0.218
ASH-SAT-43770c7d-2
0.218
MAK-UNK-be5ffcbc-4
0.218
AHN-SAT-de2502ba-16
0.217
SAD-SAT-7d5528d9-19
0.217